CID 46245401

2,3-difluoro-4-iodoaniline

Structural Information

Molecular Formula
C6H4F2IN
SMILES
C1=CC(=C(C(=C1N)F)F)I
InChI
InChI=1S/C6H4F2IN/c7-5-3(9)1-2-4(10)6(5)8/h1-2H,10H2
InChIKey
UPFNMZVCKBKXJD-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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

No literature data available for this compound.

Patent stripe

patents stripe