CID 12876625

4-isopropoxy-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C10H12F3NO
SMILES
CC(C)OC1=C(C=C(C=C1)N)C(F)(F)F
InChI
InChI=1S/C10H12F3NO/c1-6(2)15-9-4-3-7(14)5-8(9)10(11,12)13/h3-6H,14H2,1-2H3
InChIKey
SQZVIBGPQPZUCA-UHFFFAOYSA-N
Compound name
4-propan-2-yloxy-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

219.0871 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09438 144.4
[M+Na]+ 242.07632 152.7
[M-H]- 218.07982 144.1
[M+NH4]+ 237.12092 162.7
[M+K]+ 258.05026 150.3
[M+H-H2O]+ 202.08436 136.3
[M+HCOO]- 264.08530 163.4
[M+CH3COO]- 278.10095 191.6
[M+Na-2H]- 240.06177 147.4
[M]+ 219.08655 140.2
[M]- 219.08765 140.2
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