CID 117706627

2-chloro-4-fluoro-3-iodoaniline hydrochloride

Structural Information

Molecular Formula
C6H4ClFIN
SMILES
C1=CC(=C(C(=C1N)Cl)I)F
InChI
InChI=1S/C6H4ClFIN/c7-5-4(10)2-1-3(8)6(5)9/h1-2H,10H2
InChIKey
BBSWHEGIFCFOQO-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-3-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
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

No literature data available for this compound.

Patent stripe

patents stripe