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]+ 215.07906 146.4
[M+Na]+ 237.06100 155.9
[M-H]- 213.06450 145.7
[M+NH4]+ 232.10560 162.6
[M+K]+ 253.03494 152.7
[M+H-H2O]+ 197.06904 132.3
[M+HCOO]- 259.06998 161.5
[M+CH3COO]- 273.08563 200.7
[M+Na-2H]- 235.04645 151.2
[M]+ 214.07123 135.7
[M]- 214.07233 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.