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

13
Patents

203.09218 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09946 140.9
[M+Na]+ 226.08140 149.4
[M-H]- 202.08490 140.7
[M+NH4]+ 221.12600 160.0
[M+K]+ 242.05534 146.5
[M+H-H2O]+ 186.08944 133.1
[M+HCOO]- 248.09038 159.8
[M+CH3COO]- 262.10603 189.6
[M+Na-2H]- 224.06685 144.0
[M]+ 203.09163 135.4
[M]- 203.09273 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