CID 87328256

2-chloro-3-fluoropyrazine

Structural Information

Molecular Formula
C4H2ClFN2
SMILES
C1=CN=C(C(=N1)F)Cl
InChI
InChI=1S/C4H2ClFN2/c5-3-4(6)8-2-1-7-3/h1-2H
InChIKey
YDEMTNWBDGMALA-UHFFFAOYSA-N
Compound name
2-chloro-3-fluoropyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

131.98906 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.99634 116.7
[M+Na]+ 154.97828 127.9
[M-H]- 130.98178 116.6
[M+NH4]+ 150.02288 137.0
[M+K]+ 170.95222 124.8
[M+H-H2O]+ 114.98632 109.9
[M+HCOO]- 176.98726 134.5
[M+CH3COO]- 191.00291 169.4
[M+Na-2H]- 152.96373 126.1
[M]+ 131.98851 116.8
[M]- 131.98961 116.8
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