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

56
Patents

253.9404 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.947676 128.1
[M+Na]+ 276.929618 131.8
[M-H]- 252.933124 123.3
[M+NH4]+ 271.974223 145.2
[M+K]+ 292.903558 135.3
[M+H-H2O]+ 236.937660 118.3
[M+HCOO]- 298.938601 146.0
[M+CH3COO]- 312.954251 185.9
[M+Na-2H]- 274.915066 122.1
[M]+ 253.93985142 123.9
[M]- 253.94094858 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