CID 17750687

3,5-difluoro-2-methoxybenzonitrile

Structural Information

Molecular Formula
C8H5F2NO
SMILES
COC1=C(C=C(C=C1F)F)C#N
InChI
InChI=1S/C8H5F2NO/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3H,1H3
InChIKey
KLLHADSUBMEYEL-UHFFFAOYSA-N
Compound name
3,5-difluoro-2-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.03392 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04120 134.5
[M+Na]+ 192.02314 146.6
[M+NH4]+ 187.06774 138.6
[M+K]+ 207.99708 137.0
[M-H]- 168.02664 126.7
[M+Na-2H]- 190.00859 137.8
[M]+ 169.03337 133.1
[M]- 169.03447 133.1
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