CID 59709240

3-(propan-2-yl)-5-(trifluoromethyl)aniline hydrochloride

Structural Information

Molecular Formula
C10H12F3N
SMILES
CC(C)C1=CC(=CC(=C1)N)C(F)(F)F
InChI
InChI=1S/C10H12F3N/c1-6(2)7-3-8(10(11,12)13)5-9(14)4-7/h3-6H,14H2,1-2H3
InChIKey
ZCKHPVDWSVPPOG-UHFFFAOYSA-N
Compound name
3-propan-2-yl-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

203.09218 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.099456 140.9
[M+Na]+ 226.081398 149.4
[M-H]- 202.084904 140.7
[M+NH4]+ 221.126003 160.0
[M+K]+ 242.055338 146.5
[M+H-H2O]+ 186.089440 133.1
[M+HCOO]- 248.090381 159.8
[M+CH3COO]- 262.106031 189.6
[M+Na-2H]- 224.066846 144.0
[M]+ 203.09163142 135.4
[M]- 203.09272858 135.4
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