CID 29067303

1-n-(2,4-difluorophenyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C12H10F2N2
SMILES
C1=CC=C(C(=C1)N)NC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C12H10F2N2/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7,16H,15H2
InChIKey
BGBSSHMFWJXZOZ-UHFFFAOYSA-N
Compound name
2-N-(2,4-difluorophenyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

220.0812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08848 144.3
[M+Na]+ 243.07042 153.1
[M-H]- 219.07392 148.6
[M+NH4]+ 238.11502 162.1
[M+K]+ 259.04436 148.2
[M+H-H2O]+ 203.07846 135.3
[M+HCOO]- 265.07940 168.6
[M+CH3COO]- 279.09505 194.0
[M+Na-2H]- 241.05587 149.7
[M]+ 220.08065 139.3
[M]- 220.08175 139.3
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