CID 2773650

4-chloro-2-fluoro-6-iodoaniline

Structural Information

Molecular Formula
C6H4ClFIN
SMILES
C1=C(C=C(C(=C1F)N)I)Cl
InChI
InChI=1S/C6H4ClFIN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
SSNQXCONXNVTJN-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-6-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

270.9061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.91338 135.3
[M+Na]+ 293.89532 139.3
[M-H]- 269.89882 131.1
[M+NH4]+ 288.93992 152.0
[M+K]+ 309.86926 140.9
[M+H-H2O]+ 253.90336 126.8
[M+HCOO]- 315.90430 150.5
[M+CH3COO]- 329.91995 187.8
[M+Na-2H]- 291.88077 128.8
[M]+ 270.90555 132.0
[M]- 270.90665 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe