CID 29067297

1038374-82-1

Structural Information

Molecular Formula
C12H9F3N2
SMILES
C1=CC(=C(C=C1F)N)NC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C12H9F3N2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,17H,16H2
InChIKey
MRSONIDVJWSUHD-UHFFFAOYSA-N
Compound name
1-N-(2,4-difluorophenyl)-4-fluorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07178 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07906 147.5
[M+Na]+ 261.06100 157.3
[M-H]- 237.06450 150.8
[M+NH4]+ 256.10560 164.8
[M+K]+ 277.03494 152.0
[M+H-H2O]+ 221.06904 137.8
[M+HCOO]- 283.06998 170.7
[M+CH3COO]- 297.08563 198.0
[M+Na-2H]- 259.04645 151.6
[M]+ 238.07123 141.8
[M]- 238.07233 141.8
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

No patent data available for this compound.