CID 26985827

2,4-difluoro-6-iodoaniline hydrochloride

Structural Information

Molecular Formula
C6H4F2IN
SMILES
C1=C(C=C(C(=C1F)N)I)F
InChI
InChI=1S/C6H4F2IN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
IPXQDOGSRPHRAL-UHFFFAOYSA-N
Compound name
2,4-difluoro-6-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

254.93565 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.942926 133.0
[M+Na]+ 277.924868 136.2
[M-H]- 253.928374 127.7
[M+NH4]+ 272.969473 149.4
[M+K]+ 293.898808 139.4
[M+H-H2O]+ 237.932910 122.7
[M+HCOO]- 299.933851 151.3
[M+CH3COO]- 313.949501 186.8
[M+Na-2H]- 275.910316 126.1
[M]+ 254.93510142 126.6
[M]- 254.93619858 126.6
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