CID 90470823

Boron, (2,4-dimethylbenzenamine)trifluoro-, (t-4)-

Structural Information

Molecular Formula
C8H8F3N
SMILES
CC1=C(C(=C(C=C1)N(F)F)C)F
InChI
InChI=1S/C8H8F3N/c1-5-3-4-7(12(10)11)6(2)8(5)9/h3-4H,1-2H3
InChIKey
PYKAEQGOYBSWIT-UHFFFAOYSA-N
Compound name
N,N,3-trifluoro-2,4-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.06088 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.068156 129.9
[M+Na]+ 198.050098 140.0
[M-H]- 174.053604 131.9
[M+NH4]+ 193.094703 151.2
[M+K]+ 214.024038 138.4
[M+H-H2O]+ 158.058140 121.8
[M+HCOO]- 220.059081 153.1
[M+CH3COO]- 234.074731 188.4
[M+Na-2H]- 196.035546 134.3
[M]+ 175.06033142 127.5
[M]- 175.06142858 127.5
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.