CID 86775731

(2,4-difluoro-5-iodophenyl)methanamine

Structural Information

Molecular Formula
C7H6F2IN
SMILES
C1=C(C(=CC(=C1I)F)F)CN
InChI
InChI=1S/C7H6F2IN/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2H,3,11H2
InChIKey
GXAFODQBISARRZ-UHFFFAOYSA-N
Compound name
(2,4-difluoro-5-iodophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.9513 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.95858 138.0
[M+Na]+ 291.94052 140.8
[M-H]- 267.94402 132.5
[M+NH4]+ 286.98512 153.8
[M+K]+ 307.91446 143.7
[M+H-H2O]+ 251.94856 127.4
[M+HCOO]- 313.94950 156.0
[M+CH3COO]- 327.96515 189.7
[M+Na-2H]- 289.92597 130.5
[M]+ 268.95075 131.9
[M]- 268.95185 131.9
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

No patent data available for this compound.