CID 53402106

1,4-difluoro-2-iodo-5-methylbenzene

Structural Information

Molecular Formula
C7H5F2I
SMILES
CC1=CC(=C(C=C1F)I)F
InChI
InChI=1S/C7H5F2I/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
InChIKey
WUALQZYOPFOPCT-UHFFFAOYSA-N
Compound name
1,4-difluoro-2-iodo-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

253.9404 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.94768 128.1
[M+Na]+ 276.92962 131.8
[M-H]- 252.93312 123.3
[M+NH4]+ 271.97422 145.2
[M+K]+ 292.90356 135.3
[M+H-H2O]+ 236.93766 118.3
[M+HCOO]- 298.93860 146.0
[M+CH3COO]- 312.95425 185.9
[M+Na-2H]- 274.91507 122.1
[M]+ 253.93985 123.9
[M]- 253.94095 123.9
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

patents stripe