CID 130059152

4-(2-amino-1,1,1-trifluoropropan-2-yl)benzonitrile hydrochloride

Structural Information

Molecular Formula
C10H9F3N2
SMILES
CC(C1=CC=C(C=C1)C#N)(C(F)(F)F)N
InChI
InChI=1S/C10H9F3N2/c1-9(15,10(11,12)13)8-4-2-7(6-14)3-5-8/h2-5H,15H2,1H3
InChIKey
ZUPNMBVWWKXMHM-UHFFFAOYSA-N
Compound name
4-(2-amino-1,1,1-trifluoropropan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07178 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.079056 146.4
[M+Na]+ 237.060998 155.9
[M-H]- 213.064504 145.7
[M+NH4]+ 232.105603 162.6
[M+K]+ 253.034938 152.7
[M+H-H2O]+ 197.069040 132.3
[M+HCOO]- 259.069981 161.5
[M+CH3COO]- 273.085631 200.7
[M+Na-2H]- 235.046446 151.2
[M]+ 214.07123142 135.7
[M]- 214.07232858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.