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

86
Patents

174.06047 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.067746 131.9
[M+Na]+ 197.049688 140.1
[M-H]- 173.053194 132.6
[M+NH4]+ 192.094293 151.3
[M+K]+ 213.023628 138.0
[M+H-H2O]+ 157.057730 124.2
[M+HCOO]- 219.058671 155.0
[M+CH3COO]- 233.074321 184.4
[M+Na-2H]- 195.035136 135.7
[M]+ 174.05992142 126.8
[M]- 174.06101858 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