CID 15158201

4-(difluoromethoxy)benzene-1,2-diamine

Structural Information

Molecular Formula
C7H8F2N2O
SMILES
C1=CC(=C(C=C1OC(F)F)N)N
InChI
InChI=1S/C7H8F2N2O/c8-7(9)12-4-1-2-5(10)6(11)3-4/h1-3,7H,10-11H2
InChIKey
GRBDLKBKKHPPQX-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

174.06047 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06775 131.9
[M+Na]+ 197.04969 140.1
[M-H]- 173.05319 132.6
[M+NH4]+ 192.09429 151.3
[M+K]+ 213.02363 138.0
[M+H-H2O]+ 157.05773 124.2
[M+HCOO]- 219.05867 155.0
[M+CH3COO]- 233.07432 184.4
[M+Na-2H]- 195.03514 135.7
[M]+ 174.05992 126.8
[M]- 174.06102 126.8
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