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

19
Patents

254.93565 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.94293 133.0
[M+Na]+ 277.92487 136.2
[M-H]- 253.92837 127.7
[M+NH4]+ 272.96947 149.4
[M+K]+ 293.89881 139.4
[M+H-H2O]+ 237.93291 122.7
[M+HCOO]- 299.93385 151.3
[M+CH3COO]- 313.94950 186.8
[M+Na-2H]- 275.91032 126.1
[M]+ 254.93510 126.6
[M]- 254.93620 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