CID 24902286

4-(trifluoromethoxy)benzene-1,3-diamine

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
C1=CC(=C(C=C1N)N)OC(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c8-7(9,10)13-6-2-1-4(11)3-5(6)12/h1-3H,11-12H2
InChIKey
BAFWFBOAYMQWHR-UHFFFAOYSA-N
Compound name
4-(trifluoromethoxy)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

192.05104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.058316 134.4
[M+Na]+ 215.040258 143.4
[M-H]- 191.043764 133.9
[M+NH4]+ 210.084863 153.2
[M+K]+ 231.014198 140.8
[M+H-H2O]+ 175.048300 126.3
[M+HCOO]- 237.049241 155.8
[M+CH3COO]- 251.064891 186.1
[M+Na-2H]- 213.025706 139.5
[M]+ 192.05049142 128.1
[M]- 192.05158858 128.1
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