CID 14555378

N-(propan-2-yl)-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C10H12F3N
SMILES
CC(C)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C10H12F3N/c1-7(2)14-9-5-3-4-8(6-9)10(11,12)13/h3-7,14H,1-2H3
InChIKey
GXUVGWHHCTZQSK-UHFFFAOYSA-N
Compound name
N-propan-2-yl-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

203.09218 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.099456 140.8
[M+Na]+ 226.081398 148.3
[M-H]- 202.084904 140.7
[M+NH4]+ 221.126003 159.8
[M+K]+ 242.055338 145.7
[M+H-H2O]+ 186.089440 132.7
[M+HCOO]- 248.090381 160.3
[M+CH3COO]- 262.106031 189.1
[M+Na-2H]- 224.066846 145.6
[M]+ 203.09163142 135.9
[M]- 203.09272858 135.9
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

patents stripe